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MAYBRIDGE-ZINC04393126

 MMsINC code: MMs02174478
Type: Neutral
Formula: C9H11Cl2N3O2S
SMILES:   Clc1cc(S(=O)(=O)N\N=C\N(C)C)ccc1Cl
InChI:   InChI=1/C9H11Cl2N3O2S/c1-14(2)6-12-13-17(15,16)7-3-4-8(10)9(11)5-7/h3-6,13H,1-2H3/b12-6+

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Potential Energy
Epot(MMFF94)=59.6857 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.178 g/mol  logS: -3.14363  SlogP: 1.7766  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.130177  Sterimol/B1: 3.67234  Sterimol/B2: 3.80326  Sterimol/B3: 4.13854
  Sterimol/B4: 6.4514  Sterimol/L: 13.2353 
 
 Surface and Volume Properties
  Accessible surface: 476.537  Positive charged surface: 251.138  Negative charged surface: 225.399  Volume: 236.875
  Hydrophobic surface: 366.552  Hydrophilic surface: 109.985
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.